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emrebjk
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[*] posted on 15-1-2007 at 03:35
H-NMR of benzoyl pyridine

Hi all. I bought benzoylpyridine from merck. But I need it's H-NMR spectrum. if you have a NMR atlas can you send it to me. Also if you send 2-acetylpyridine and 2-pyridinecarboxyaldehyde I will be so happy :) THANX
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Sauron
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[*] posted on 15-1-2007 at 04:06


Don't any of the usual suspects (Aldrich, Fluka) give that away online, cf. on pages of the compounds in question in their online catalog?

How about NIST?

Finally, how about a software NMR emulator? Structure to spectrum? I have seen such things.

Here is FT-NMR of 2-benzoylpyridine from Aldrich web site

3- and 4-benzoylpyridines also available.

[Edited on 15-1-2007 by Sauron]

Attachment: FNMR009399[1].pdf (92kB)
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Sauron
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[*] posted on 15-1-2007 at 04:30


Here's FT-NMR of 2-acetylpyridine from same source

[Edited on 15-1-2007 by Sauron]

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Sauron
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[*] posted on 15-1-2007 at 04:33


and finally 2-pyridinecarboxaldehyde FT-NMR from same Aldrich site:


Don't mention it. I just requested three journal articles and this is my atonement.

My karmic balance is maintained.

(Fat chance!)

[Edited on 15-1-2007 by Sauron]

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emrebjk
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[*] posted on 15-1-2007 at 05:56


thank you too much
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Dr.3vil
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[*] posted on 15-1-2007 at 08:44
Spectral database

http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi

If you need IR, NMR, UV/VIS spectra.... this is the place to go. Just about every basic organic compound can be found here. I used this during organic 1 and 2 along with the lab, this is a very good resource.

enjoy

- 3vil
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Sauron
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[*] posted on 15-1-2007 at 09:21


One problem with those Aldrich spectra is that the filename is not meaningful, as such just a code number and the name or structure does not appear in the image anywhere I could see. You might want to edit those in for future use.
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unionised
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[*] posted on 15-1-2007 at 12:22


Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra?
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Dr. Beaker
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[*] posted on 15-1-2007 at 12:47


if you got chemdraw there's an option there to get proton and carbon NMR to the structure you enter. naturally, it's just a rough aproximation, but is better then nothing. it will generally give good results for simple organic compounds though,
there are more proffessional apps for this, the NMR guys at my U know them better, and they're really accurate.
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emrebjk
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[*] posted on 15-1-2007 at 23:10


I think ACD labs H-NMR prediction software is better than chem office.
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Dr.3vil
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[*] posted on 17-1-2007 at 07:39


Quote:
Originally posted by unionised
Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra?


Sorry, I do not. However, If i come across anything in my searches, I will post. The link I provided does have UV/vis spectra, however it is hit or miss.

- 3vil
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vulture
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[*] posted on 17-1-2007 at 13:23


Chemdraws H-NMR prediction is pretty bad. You need really specialized software if you want to get anything meaningful for more complicated compounds.



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py3rhcl3
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[*] posted on 22-1-2007 at 01:00


Quote:
Originally posted by unionised
Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra?


Well here are the ones I know and use

PubSpectra (a bit chaotic, but huge)

USC (only a view substances)

and
fluorophores

Hope you can use some of those...
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[*] posted on 22-1-2007 at 11:21


Thanks
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leu
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[*] posted on 22-1-2007 at 18:29


Another URL for spectral data and more chemistry related links:

http://www.chem.uni-potsdam.de/~thomas/modules.php?op=modloa...

:cool:



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[*] posted on 7-2-2007 at 10:40


Quote:
Originally posted by Dr.3vil
http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi

If you need IR, NMR, UV/VIS spectra.... this is the place to go. Just about every basic organic compound can be found here. I used this during organic 1 and 2 along with the lab, this is a very good resource.

enjoy

- 3vil


yeah , this is of best sites about IR and NMR...i used to query it in my uni spectroscopy course...and its very reliable :cool:
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Ozone
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[*] posted on 7-2-2007 at 17:04


I have most of the olde-skule UV-Vis Atlas in hard copy (the old onion skin paper). If someone really needs it, I could look it up, scan it in and zip you a .pdf.

Best,

O3



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